N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide

C10H20N2OS — CID 62092791

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC(C)CC(N)=S
InChIInChI=1S/C10H20N2OS/c1-7(2)4-5-10(13)12-8(3)6-9(11)14/h7-8H,4-6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyJNKFBSIWQWSUSA-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.60
Rot. Bonds6

About N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide

N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide (PubChem CID 62092791) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide
PubChem CID62092791
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC(C)CC(N)=S
InChIInChI=1S/C10H20N2OS/c1-7(2)4-5-10(13)12-8(3)6-9(11)14/h7-8H,4-6H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyJNKFBSIWQWSUSA-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide
CID 62093157
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-dimethylbutanamide
CID 62093697
N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
CID 88911666
N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide
CID 61120703
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 55033721
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103020377
4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
CID 129136562
3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide
CID 28942423
N-(6-methylheptan-2-yl)butanamide
CID 60644759
N'-pentan-2-ylpropanediamide
CID 88934201
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
CID 107261286

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide (CID 62092791) is N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide is CC(C)CCC(=O)NC(C)CC(N)=S.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide?
The InChIKey is JNKFBSIWQWSUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-7(2)4-5-10(13)12-8(3)6-9(11)14/h7-8H,4-6H2,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide has a molecular weight of 216.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 62092791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).